(3Z)-5-azanyl-3-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-5-azanyl-3-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-5-amino-3-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-5-amino-3-[[5-(methylaminomethyl)-2-sulfophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-5-amino-3-[[5-(methylaminomethyl)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-5-amino-4-keto-3-[[5-(methylaminomethyl)-2-sulfo-phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C18H18N4O7S2 MolecularWeight: 466.48812

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C(=CC=C3)N)S(=O)(=O)O

Isomeric SMILES

CNCC1=CC(=C(C=C1)S(=O)(=O)O)N/N=C/2\C(=CC3=C(C2=O)C(=CC=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O7S2/c1-20-9-10-5-6-14(30(24,25)26)13(7-10)21-22-17-15(31(27,28)29)8-11-3-2-4-12(19)16(11)18(17)23/h2-8,20-21H,9,19H2,1H3,(H,24,25,26)(H,27,28,29)/b22-17+